Computational study of boron nitride nanotube synthesis: How catalyst morphology stabilizes the boron nitride bond
Computational study of boron nitride nanotube synthesis: How catalyst morphology stabilizes the boron nitride bond
In an attempt to understand why catalytic methods for the growth of boron nitride nanotubes work much worse than for their carbon counterparts, we use first-principles calculations to study the energetics of elemental reactions forming ${\text{N}}_{2}$, ${\text{B}}_{2}$, and BN molecules on an iron catalyst. We observe that the local morphology …